BDBM50022788 (2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::(2S,5R,6R)-6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid::CHEMBL891::CLOXAPEN::TEGOPEN::cloxacillin

SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl

InChI Key InChIKey=LQOLIRLGBULYKD-UHFFFAOYSA-N

Data  5 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50022788   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 2.20E+5nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 3.77E+5nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 22 member 8(Mouse)
Wilkes University

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 3.09E+4nMAssay Description:Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluorescein uptake over 20 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Escherichia coli)
Institute

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 26nMAssay Description:Inhibition of Escherichia coli beta-lactamase ACC4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSugE(Salmonella newport)
Institute

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Pseudomonas aeruginosa (g-Proteobacteria))
Institute

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothinMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataIC50: 4.16E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase TEM(Escherichia coli)
Cnrs-Cercoa

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataKi:  1.30E+4nMAssay Description:Inhibition constant (Ki) for TEM-1 beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 15 member 1(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataKi:  2.50E+6nMAssay Description:Binding affinity against membrane transport protein PEPT1 in human Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 15 member 1(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataKi:  3.00E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 15 member 2(Rat)
Biozentrum of The Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataKi:  9.50E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (pH6.0) in SKPT cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSolute carrier family 15 member 2(Human)
University of Milan

Curated by ChEMBL
LigandPNGBDBM50022788((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...)
Affinity DataKi:  9.50E+5nMAssay Description:Binding affinity to human PepT2 in SKTP cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed